SCHEMBL1690331

SCHEMBL1690331

C[C@H](Oc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
PTGDR2 Q9Y5Y4 6/20 0.48
PPARG P37231 13/20 0.45
PPARD Q03181 13/20 0.45
PPARA Q07869 12/20 0.45
PTGDR Q13258 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1690221 0.86 PTGDR2 (0.57) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL1753537 0.85 PTGDR2 (0.67) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL1690305 0.84 PTGDR2 (0.52) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL1753613 0.84 TSHR (0.52) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL1690369 0.83 ABCB11 (0.63) PTGDR2PPARGPPARDPPARA
SCHEMBL1991361 0.83 TSHR (0.51) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL1753812 0.80 ALDH1A1 (0.53) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL1753809 0.78 MEN1 (0.56) TSHRPTGDR2
SCHEMBL5186851 0.77 ABCB11 (0.58) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL2100973 0.77 ABCB11 (0.58) TSHRHTR2AHTR2CHTR2BPTGDR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US claimed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US claimed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US claimed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 TSHR 2760/4885HTR2A 207/4885HTR2C 119/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 TSHR 2760/4885HTR2A 207/4885HTR2C 119/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.